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Information card for entry 1551619
Preview
| Coordinates | 1551619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H16 N4 O7 |
|---|---|
| Calculated formula | C17 H16 N4 O7 |
| SMILES | O=C1/C(C=C(N(=O)=O)C=C1)=C\NCC(O)CN/C=C1\C(=O)C=CC(=C1)N(=O)=O |
| Title of publication | Synthesis and Crystal Structure of 1,3-Bis(5-nitrosalicylideneamino)-2-propanol |
| Authors of publication | MIUKURIYA, Masahiro; NAKA, Yuko; YOSHIOKA, Daisuke |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2015 |
| Journal volume | 31 |
| Journal issue | 0 |
| Pages of publication | 55 |
| a | 18.388 ± 0.005 Å |
| b | 10.355 ± 0.003 Å |
| c | 19.159 ± 0.005 Å |
| α | 90° |
| β | 113.596 ± 0.006° |
| γ | 90° |
| Cell volume | 3343 ± 1.6 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1175 |
| Residual factor for significantly intense reflections | 0.0909 |
| Weighted residual factors for significantly intense reflections | 0.1653 |
| Weighted residual factors for all reflections included in the refinement | 0.173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.318 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216230 (current) | 2019-06-20 | cif/ Adding structures of 1551619 via cif-deposit CGI script. |
1551619.cif |
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Users of the data should acknowledge the original authors of the
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